2,6-ditert-butyl-4-[3-(2,6-ditert-butylthiopyran-4-ylidene)-2-phenyl-propyl]thiopyrylium

Systemtic Name: 2,6-ditert-butyl-4-[3-(2,6-ditert-butylthiopyran-4-ylidene)-2-phenyl-propyl]thiopyrylium Openeye Name: 2,6-ditert-butyl-4-[3-(2,6-ditert-butylthiopyran-4-ylidene)-2-phenyl-propyl]thiopyrylium CAS Name: 2,6-ditert-butyl-4-[3-(2,6-ditert-butyl-4-thiopyranylidene)-2-phenylpropyl]thiopyrylium IUPAC Name: 2,6-ditert-butyl-4-[3-(2,6-ditert-butylthiopyran-4-ylidene)-2-phenylpropyl]thiopyrylium Traditional Name: 2,6-ditert-butyl-4-[3-(2,6-ditert-butylthiopyran-4-ylidene)-2-phenyl-propyl]thiopyrylium Formula: C35H49S2+ MolecularWeight: 533.89356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(CC2=CC(=[S+]C(=C2)C(C)(C)C)C(C)(C)C)C3=CC=CC=C3)C=C(S1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(CC2=CC(=[S+]C(=C2)C(C)(C)C)C(C)(C)C)C3=CC=CC=C3)C=C(S1)C(C)(C)C

InChI

InChI=1S/C35H49S2/c1-32(2,3)28-20-24(21-29(36-28)33(4,5)6)18-27(26-16-14-13-15-17-26)19-25-22-30(34(7,8)9)37-31(23-25)35(10,11)12/h13-18,20-23,27H,19H2,1-12H3/q+1